Publications
2019
R. Kempton, T. Kidd-Kautz, S. Laurenceau S, and S. Paula. 2019. Heck- and Suzuki-coupling approaches to novel hydroquinone inhibitors of calcium ATPase. Beilstein J. Org. Chem. 15: 971-975. PMID: 31164934.
W. Choi, V. Villegas, H. Istre, B. Heppler, N. Gonzalez, N. Brusman, L. Snider, E. Hogle, J. Tucker, A. Onate, S. Onate, L. Ma, and S. Paula. 2019. Synthesis and characterization of CAPE derivative as xanthine oxidas inhibitors with radical scavenging properties. Bioorg. Chem. 86: 686-695. PMID: 30831530.
S. Paula, J. Baker, X. Zhu, and A. MCluskey. 2019. Binding of chlorinated phenylacrylonitriles to the aryl hydrocarbon receptor: Computational docking and molecular dynamics simulations. In: Molecular Docking and Molecular Dynamics. Editor: Amalia Stefaniu. IntertechOpen, London.
2018
J. Baker , J. Gilbert, S. Paula, X. Zhu, J. Sakoff, and A. McCluskey. 2018. Dichlorophenylacrylonitriles as AhR ligands that display selective breast cancer cytotoxicity in vitro. ChemMedChem. 13: 1447-1458. PMID: 29771007.
2016
E. Hofmann, J. Webster, T. Do, R. Kline, L. Snider, Q. Hauser, G. Higginbottom, A. Campbell, L Ma L, and S. Paula. 2016. Hydroxylated chalcones with dual properties: Xanthine oxidase inhibitors and radical scavengers. Bioorganic and Medicinal Chemistry. 24: 578-587. PMID: 26762836.
2015
S. Paula, E. Hofmann, J. Burden, and D. Stanton. 2015. Novel phenolic inhibitors of the sarco/endoplasmic reticulum calcium ATPase: identification and characterization by quantitative structure-activity relationship modeling and virtual screening. Journal of Enzyme Inhibition and Medicinal Chemistry. 30: 1-8. PMID: 24517371.
2014
E. Hofmann, J. Webster, T. Kidd, R. Kline, M. Jayasinghe, and S. Paula. 2014. Coumarins with xanthine oxidase inhibiting and radical scavenging properties: Tools to combat oxidative stress in cells. International Journal of Bioscience, Biochemistry and Bioinformatics. 4: 234-239. DOI: 10.7763/IJBBB.2014.V4.346.
E. Amato, T. Bankemper, R. Kidney, T. Do, A. Onate, F. Thowfeik, E. Merino, S. Paula, and L. Ma. 2014. Investigation of fluorinated and bifunctionalized 3-phenylchroman-4-one (isoflavanone) aromatase inhibitors. Bioorganic and Medicinal Chemistry. 22: 126-134. PMID: 24345481.
S. Paula. 2014. An introduction to passive ion transport across model lipid membranes for undergraduate students: Proton permeation measurements in liposomes. Journal of Chemical Education. 91: 145-148. DOI: 10.1021/ed4004172.
2013
S. Paula, C. Elam, M. Woeste, J. Abell, and R. Kempton. 2013. Hydroquinones with conformationally constrained substituents: Synthesis, characterization, and evaluation. International Journal of Bioscience, Biochemistry and Bioinformatics. 3: 535-539. DOI: 10.7763/IJBBB.2013.V3.271.
M. Woeste, J. Steller, E. Hofmann, T. Kidd, R. Patel, K. Connelly, M. Jayasinghe, and S. Paula. 2013. Structural requirements for inhibitory effects of bisphenols on the activity of the sarco/endoplasmic reticulum calcium ATPase. Bioorganic and Medicinal Chemistry. 21: 3927-3933. PMID: 23643898.
2012
K. Bonfield, E. Amato, A. Bankemper, H. Agard, J. Steller, J. Keeler, D. Roy, A. McCallum, S. Paula, and L. Ma. 2012. Development of a new class of aromatase inhibitors: design, synthesis and inhibitory activity of 3-phenylchroman-4-one (isoflavanone) derivatives. Bioorganic and Medicinal Chemistry. 20: 2603-2613. PMID: 2244875.
2011
C. Elam, M. Lape, J. Deye, J. Zultowsky, D. Stanton, S. Paula. 2011. Discovery of novel SERCA inhibitors by virtual screening of a large compound library. European Journal of Medicinal Chemistry. 46: 1512-1523.
2010
M. Lape, S. Paula, W. J. Ball, Jr. 2010. A molecular model for cocaine binding by the immunotherapeutic human/mouse chimeric monoclonal antibody 2E2. European Journal of Medicinal Chemistry. 45: 2291-2298.
M. Lape, C. Elam, S. Paula. 2010. Comparison of current docking tools for the simulation of inhibitor binding by the transmembrane domain of the sarco/endoplasmic reticulum calcium ATPase. Biophysical Chemistry. 150: 88-97.
2009
S. Paula, J. Abell, J. Deye, C. Elam, M. Lape, J. Purnell, R. Ratliff, K. Sebastian, J. Zultowsky, R. Kempton. 2009. Design, synthesis, and biological evaluation of hydroquinone derivatives as novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase. Bioorganic and Medicinal Chemistry. 17: 6613-6619.
J. Deye, C. Elam, M. Lape, R. Ratliff, K. Evans, S. Paula. 2009. Structure-based virtual screening for novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase and their experimental evaluation. Bioorganic and Medicinal Chemistry. 17: 1353-1360.
2008
S. Paula. 2008. Progress in the discovery of SERCA inhibitors (Review). In: Medicinal Chemistry Research Progress. Editors: G. Colombo and S. Ricci. Nova Science Publishers, New York.
2007
M. Lape, C. Elam, M. Versluis, R. Kempton, and S. Paula. 2007. Molecular determinants of sarco/endoplasmic reticulum calcium ATPase inhibition by hydroquinone-based compounds. Proteins: Structure, Function, and Bioinformatics. 70: 639-649.
D. Stanton, J. Ankenbauer, D. Rothgeb, M. Draper, and S. Paula. 2007. Identification and characterization of novel Sodium/Potassium-ATPase inhibitors by virtual screening of a compound database. Bioorganic and Medicinal Chemistry. 15: 6062-6070.
2005
S. Paula, N. Monson, and W. J. Ball, Jr. 2005. Molecular modeling of cardiac glycoside binding by the human sequence monoclonal antibody 1B3. Proteins: Structure, Function, and Bioinformatics. 60: 382-391.
S. M. Keenan, R. K. Delisle, W. J. Ball, S. Paula, W. J. Welsh. 2005. Elucidation of the Na+,K+-ATPase digitalis binding site. Journal of Molecular Graphics and Modeling. 23: 465-475.
S. Paula, M. R. Tabet, and W. J. Ball, Jr. 2005. Interactions between cardiac glycosides and sodium/potassium-ATPase: 3D structure-activity relationship models for ligand binding to the E2-Pi form of the enzyme versus activity inhibition. Biochemistry. 44: 498-510.
2004
S. Paula and W. J. Ball, Jr. 2004. The molecular determinants of thapsigargin binding to SERCA Ca2+-ATPase: A computational docking study. Proteins: Structure, Function, and Bioinformatics. 56: 595-606.
S. Paula, M. R. Tabet, A. B. Norman, and W. J. Ball, Jr. 2004. Modeling of cocaine binding by a novel human monoclonal antibody. Journal of Medicinal Chemistry. 47: 133-142.
2003
W. J. Ball, Jr., C. D. Farr, S. Paula, S. M. Keenan, R. K. DeLisle, and W. J. Welsh. 2003. Three-dimensional structure-activity relationship modeling of digoxin inhibition and docking to Na+,K+-ATPase. Annals of the New York Academy of Sciences. 986: 296-297.
2002
S. Paula, M. R. Tabet, S. M. Keenan, W. J. Welsh, and W. J. Ball, Jr. 2002. Three-dimensional structure-activity relationship modeling of cocaine binding to two monoclonal antibodies by comparative molecular field analysis. Journal of Molecular Biology. 325: 515-530.
J. Tittor, S. Paula, S. Subramaniam, J. Heberle, R. Henderson, D. Oesterhelt. 2002. Proton translocation by bacteriorhodopsin in the absence of substantial conformational changes. Journal of Molecular Biology. 319: 555-565.
2001
S. Paula, J. Tittor, and D. Oesterhelt. 2001. Roles of cytoplasmic arginine and threonine in chloride transport by the bacteriorhodopsin mutant D85T. Biophysical Journal. 80: 2386-2395.
1999
S. Paula and D. W. Deamer. 1999. Membrane permeability barriers to ionic and polar solutes. Current Topics in Membranes. 48: 77-95.
S. Paula, M. Akeson, and D. Deamer. 1999. Water transport by the bacterial channel alpha-hemolysin. Biochimica et Biophysica Acta. 1418: 117-126.
S. Paula, A. Sucheta, I. Szundi, and O. Einarsdóttir. 1999. Proton and electron transfer during the reduction of molecular oxygen by fully reduced cytochrome c oxidase: a flow-flash investigation using optical multichannel detection. Biochemistry. 38: 3025-3033.
1998
S. Paula, A. G. Volkov, and D. W. Deamer. 1998. Permeation of halide anions through phospholipid bilayers occurs by the solubility-diffusion mechanism. Biophysical Journal. 74: 319-327.
1997
A. G. Volkov, S. Paula, and D. W. Deamer. 1997. Two mechanisms of permeation of small neutral molecules and hydrated ions across phospholipid bilayers. Bioelectrochemistry and Bioenergetics. 42: 153-160.
1996
S. Paula, A. G. Volkov, A. N. Van Hoek, T. H. Haines, and D. W. Deamer. 1996. Permeation of protons, potassium ions, and small polar molecules through phospholipid bilayers as a function of membrane thickness. Biophysical Journal. 70: 339-348.
1995
S. Paula, W. Süss, J. Tuchtenhagen, and A. Blume. 1995. Thermodynamics of micelle formation as a function of temperature - a high sensitivity titration calorimetry study. Journal of Physical Chemistry. 99: 11742-11751.
1993
A. Blume, J. Tuchtenhagen, and S. Paula. 1993. Application of titration calorimetry to study binding of ions, detergents, and polypeptides to lipid bilayers. Progress in Colloid and Polymer Science. 93: 118-122.